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11.
Rafiee MA Hadipour NL Naderi-manesh H 《Journal of chemical information and modeling》2005,45(2):366-370
In this work the calculated nuclear quadrupole coupling constants (NQCC; chi) of 17O in artemisinin and some of its derivatives and the effects of charge density due to the nature of ligands on NQCC of 17O were investigated. All calculations were performed at the HF/3-21G level using the Gaussian 98 program. The results show that the O-O linkage has a characteristic role in the antimalarial activity of artemisinin. In addition, various substitutions on C4 change the charge density on these oxygens and consequently change the pharmaceutical effect of artemisinin. Our results suggest that due to a larger charge density on O1, the heme iron approaches the endoperoxide moiety at the O1 position with preference to the O2 position. 相似文献
12.
Poly[N-(2-aminoethyl)acrylamido]trimethyl ammonium chloride resin was developed as a new polymeric phase transfer catalyst. This quaternized polyacrylamide catalyzed the chemoselective reduction of aldehydes and ketones by NaBH4 to give corresponding alcohols in high yields under mild conditions. 相似文献
13.
Leili Mohammadi Hossein Kamani Abolfazl Asghari Amin Mohammadpour Mohammad Golaki Abbas Rahdar George Z. Kyzas 《Molecules (Basel, Switzerland)》2022,27(19)
High concentrations of antibiotics have been identified in aqueous media, which has diminished the quality of water resources. These compounds are usually highly toxic and have low biodegradability, and there have been reports about their mutagenic or carcinogenic effects. The aim of this study was to apply zero-valent iron-oxide nanoparticles in the presence of hydrogen peroxide and the sonolysis process for the removal of the amoxicillin antibiotic from aqueous media. In this study, zero-valent iron nanoparticles were prepared by an iron chloride reduction method in the presence of sodium borohydride (NaBH4), and the obtained nanoparticles were characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), and vibrating-sample magnetometry (VSM). Then, using a Fenton-like process, synthetic wastewater containing 100 to 500 mg/L amoxicillin antibiotic was investigated, and the effects of different parameters, such as the frequency (1 and 2 kHz), contact time (15 to 120 min), the concentration of hydrogen peroxide (0.3%, 0.5%, and 6%), the dose of zero-valent iron nanoparticles (0.05, 0.1, 0.5 g/L), and pH (3, 5, 10) were thoroughly studied. A pH of 3, hydrogen peroxide concentration of 3%, ultrasonic-wave frequency of 130 kHz, zero-valent iron nanoparticles of 0.5 g/L, and contaminant concentration of 100 mg/L were obtained as the optimal conditions of the combined US/H2O2/nZVI process. Under the optimal conditions of the combined process of zero-valent iron nanoparticles and hydrogen peroxide in the presence of ultrasonic waves, a 99.7% removal efficiency of amoxicillin was achieved in 120 min. The results show that the combined US/H2O2/nZVI process could be successfully used to remove environmental contaminants, including antibiotics such as amoxicillin, with a high removal percentage. 相似文献
14.
Structural Chemistry - Hydroboration of CO2 has been recognized as a desirable reaction for value-added chemical production. The main aims of this report are to introduce and study the mechanism of... 相似文献
15.
Structural Chemistry - In this work, the hydrogenation of acetylene on the Pd2/g-C3N4 catalyst is investigated by the density functional theory (DFT) and quantum theory of atoms in molecules... 相似文献
16.
Zheng Yuanzhou Yang Haoran Mazaheri Hossein Aghaei Alireza Mokhtari Namjoo Afrand Masoud 《Journal of Thermal Analysis and Calorimetry》2021,143(2):1425-1438
Journal of Thermal Analysis and Calorimetry - The purpose of this study is to numerically investigate flow field and turbulent heat transfer of hybrid nanofluid, water–DWCNT–TiO2 in a... 相似文献
17.
Hashemi Karouei Seyed Hossein Ajarostaghi Seyed Soheil Mousavi Gorji-Bandpy Mofid Hosseini Fard Seyed Reza 《Journal of Thermal Analysis and Calorimetry》2021,143(2):1455-1466
Journal of Thermal Analysis and Calorimetry - In the present study, the effect of inserting an innovative curved turbulator and utilizing two types of hybrid nanofluids on thermal performance in a... 相似文献
18.
Monajati Saharkhiz Mohammad Hossein Ghorbani Bahram 《Journal of Thermal Analysis and Calorimetry》2021,145(3):1385-1411
Journal of Thermal Analysis and Calorimetry - Due to limited energy supply sources and environmental issues, the use of renewable energy to replace fossil fuels and reduce pollution has increased.... 相似文献
19.
Cellulose - The electrical conductivity of cotton fabrics was enhanced using an in situ synthesis of graphene or polymerization of conductive polymer. The impact of conductive materials... 相似文献
20.
Hamideh Sharifi Noghabi Gholam Hossein Rounaghi Mohammad Hossein ArbabZavar Javad Ebrahimi 《Russian Journal of General Chemistry》2014,84(7):1429-1433
We report on conductometric study of complexation between benzylbisthiosemicarbazone [(2E,2′E)-2,2′-(1,2-diphenylethane-1,2-diylidene)bis(hydrazine-1-carbothioamide)] with Zn2+, Cr3+, Co2+, and Ni2+ cations at different temperatures in acetonitrile-dimethylformamide binary solvents of varied composition. The equilibrium constant and standard thermodynamic parameters (Δc H 0 and Δc S 0) of the complexes formation have been determined and found to be dependent on the binary solvent composition, the metal ion nature, and temperature. 相似文献